Crystallography Open Database

Information card for entry 7118028

Preview

Coordinates	7118028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H72 Bi2 N8 P4
Calculated formula	C40 H72 Bi2 N8 P4
SMILES	[Bi]1234[Bi]([N]5=C(P=C(N15)C(C)(C)C)C(C)(C)C)(N1[N]2=C(P=C1C(C)(C)C)C(C)(C)C)([N]1=C(P=C(N31)C(C)(C)C)C(C)(C)C)N1[N]4=C(P=C1C(C)(C)C)C(C)(C)C
Title of publication	Paddlewheel 1,2,4-diazaphospholide dibismuthanes with very short bismuth-bismuth single bonds
Authors of publication	Minggang Zhao; Lixia Wang; Pangpang Li; Xiang Zhang; Ying Yang; Wenjun Zheng
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	16184
a	23.3993 ± 0.0014 Å
b	10.7452 ± 0.0005 Å
c	21.7187 ± 0.0017 Å
α	90°
β	114.212 ± 0.008°
γ	90°
Cell volume	4980.4 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0956
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7118028.cif
169966	2015-11-03	cif/ Adding structures of 7118028, 7118029, 7118030 via cif-deposit CGI script.	7118028.cif