Crystallography Open Database

Information card for entry 4081884

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Structure parameters

Formula	C65 H72 P Sn
Calculated formula	C65 H72 P Sn
Title of publication	Stannylene-Based Lewis Pairs
Authors of publication	Freitag, Sarah; Krebs, Kilian M.; Henning, Jens; Hirdler, Janina; Schubert, Hartmut; Wesemann, Lars
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	22
Pages of publication	6785
a	12.4011 ± 0.0005 Å
b	18.8054 ± 0.0008 Å
c	24.7687 ± 0.001 Å
α	90°
β	93.0458 ± 0.0019°
γ	90°
Cell volume	5768.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.031
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4081884.cif
178707	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/18.	4081884.cif
91793	2013-12-13	cif/ Adding structures of 4081882, 4081883, 4081884, 4081885 via cif-deposit CGI script.	4081884.cif