Crystallography Open Database

Information card for entry 4316847

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Coordinates	4316847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H72 I2 N6 O P4 Zn2
Calculated formula	C76 H72 I2 N6 O P4 Zn2
Title of publication	Chemistry of the Phosphorus-Nitrogen Ligands. Multiple Isomeric Transformations of the Diphosphinohydrazine Bearing 8-Quinolyl Substituent: P\ρightarrowC, P\ρightarrowN, and P\ρightarrowP Migrations Caused by Different Factors
Authors of publication	Alexander N. Kornev; Natalia V. Belina; Vyacheslav V. Sushev; Julia S. Panova; Olga V. Lukoyanova; Sergey Y. Ketkov; Georgy K. Fukin; Mikhail A. Lopatin; Gleb A. Abakumov
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9677 - 9682
a	12.3881 ± 0.0005 Å
b	12.4416 ± 0.0005 Å
c	12.9177 ± 0.0005 Å
α	107.302 ± 0.001°
β	114.325 ± 0.001°
γ	94.725 ± 0.001°
Cell volume	1683.42 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179248 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68.	4316847.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316847.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316847.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4316847.cif
10356	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316847 via cif-deposit CGI script.	4316847.cif