Crystallography Open Database

Information card for entry 4334499

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Structure parameters

Formula	C49 H40 B F15 Ge N2 O P2 Si2
Calculated formula	C49 H40 B F15 Ge N2 O P2 Si2
SMILES	[Ge]1([N](=P(C=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[OH][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
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	13.7031 ± 0.0009 Å
b	19.3306 ± 0.0014 Å
c	20.8662 ± 0.0015 Å
α	99.134 ± 0.002°
β	90.603 ± 0.002°
γ	95.525 ± 0.002°
Cell volume	5429.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1568
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	0.876
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334499.cif
179447	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 4/33/44.	4334499.cif
100326	2014-02-04	cif/ Adding structures of 4334499 via cif-deposit CGI script.	4334499.cif