Crystallography Open Database

Information card for entry 7117994

Preview

Coordinates	7117994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H54 N2 O4 P2 Si2 Zn
Calculated formula	C32 H54 N2 O4 P2 Si2 Zn
SMILES	[Zn]12([P](C(C(=O)O[Si](C)(C)C)=C3N1C=CC=C3)(C(C)C)C(C)C)[P](C(C(=O)O[Si](C)(C)C)=C1N2C=CC=C1)(C(C)C)C(C)C
Title of publication	Unexpected formal insertion of CO2 into the C-Si bonds of a zinc compound
Authors of publication	Genette I. McGrew; Pathik A. Khatri; William E. Geiger; Richard A. Kemp; Rory Waterman
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	15804
a	9.3607 ± 0.0007 Å
b	14.583 ± 0.0011 Å
c	15.9704 ± 0.0013 Å
α	63.857 ± 0.001°
β	81.986 ± 0.001°
γ	78.518 ± 0.001°
Cell volume	1914.6 ± 0.3 Å³
Cell temperature	129 ± 2 K
Ambient diffraction temperature	129 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
169749 (current)	2015-10-26	cif/ Adding structures of 7117993, 7117994 via cif-deposit CGI script.	7117994.cif