Crystallography Open Database

Information card for entry 7112172

Preview

Coordinates	7112172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H72 B2 N4 Pb
Calculated formula	C52 H72 B2 N4 Pb
SMILES	[Pb](B1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)B1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
Title of publication	Heavy metal boryl chemistry: complexes of cadmium, mercury and lead
Authors of publication	Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3841
a	12.8321 ± 0.0002 Å
b	20.4714 ± 0.0003 Å
c	19.4688 ± 0.0003 Å
α	90°
β	94.9158 ± 0.0007°
γ	90°
Cell volume	5095.47 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for all reflections	0.0964
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.0131
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112172.cif
107484	2014-03-19	cif/ Adding structures of 7112170, 7112171, 7112172, 7112173, 7112174, 7112175 via cif-deposit CGI script.	7112172.cif