Crystallography Open Database

Information card for entry 4334501

Preview

Coordinates	4334501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H80 Cl8 Ge2 Mn2 N4 P4 Si4
Calculated formula	C64 H80 Cl8 Ge2 Mn2 N4 P4 Si4
SMILES	C[Si](C)(C)[N]1=P([C@]2(P(=[N]([Mn]32(Cl)[Cl][Mn]2([C@]4(P(=[N]([Ge]4)[Si](C)(C)C)(c4ccccc4)c4ccccc4)P(=[N]2[Si](C)(C)C)(c2ccccc2)c2ccccc2)(Cl)[Cl]3)[Si](C)(C)C)(c2ccccc2)c2ccccc2)[Ge]1)(c1ccccc1)c1ccccc1.ClCCl.C(Cl)Cl
Title of publication	Synthesis of Hetero-Binuclear Complexes from Bisgermavinylidene
Authors of publication	Wing-Por Leung; Kwok-Wai Kan; Yuk-Chi Chan; Thomas C. W. Mak
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4571 - 4577
a	23.185 ± 0.002 Å
b	13.0651 ± 0.0013 Å
c	28.177 ± 0.003 Å
α	90°
β	109.3 ± 0.002°
γ	90°
Cell volume	8055.5 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179448 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/45.	4334501.cif
100329	2014-02-04	cif/ Adding structures of 4334501 via cif-deposit CGI script.	4334501.cif