Crystallography Open Database

Information card for entry 4316848

Preview

Coordinates	4316848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H73 N6 P4 Zn
Calculated formula	C87 H73 N6 P4 Zn
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	12.255 ± 0.0016 Å
b	17.405 ± 0.002 Å
c	17.594 ± 0.002 Å
α	80.36 ± 0.003°
β	74.71 ± 0.003°
γ	89.626 ± 0.003°
Cell volume	3566 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2119
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	0.936
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.	4316848.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316848.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316848.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' ) &	4316848.cif
10357	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316848 via cif-deposit CGI script.	4316848.cif