Crystallography Open Database

Information card for entry 4348753

Preview

Structure parameters

Formula	C67 H106 Ge P2
Calculated formula	C67 H106 Ge P2
SMILES	[Ge](P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.CC1CCCCC1
Title of publication	Remote Substituent Effects on the Structures and Stabilities of P═E π-Stabilized Diphosphatetrylenes (R<sub>2</sub>P)<sub>2</sub>E (E = Ge, Sn).
Authors of publication	Izod, Keith; Evans, Peter; Waddell, Paul G.; Probert, Michael R.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10510 - 10522
a	27.3723 ± 0.0006 Å
b	19.1347 ± 0.0003 Å
c	12.3204 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6452.9 ± 0.2 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	4
Space group number	30
Hermann-Mauguin space group symbol	P n c 2
Hall space group symbol	P 2 -2bc
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1835
Weighted residual factors for all reflections included in the refinement	0.194
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4348753.cif
233313	2019-11-23	cif/ Adding structures of 4348752, 4348753, 4348754, 4348755, 4348756 via cif-deposit CGI script.	4348753.cif