Crystallography Open Database

Information card for entry 4125695

Preview

Coordinates	4125695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.4 H62.8 B Cl1.8 F4 N O2 Os P3
Calculated formula	C70.4 H62.8 B Cl1.8 F4 N O2 Os P3
Title of publication	Reactions of Isocyanides with Metal Carbyne Complexes: Isolation and Characterization of Metallacyclopropenimine Intermediates.
Authors of publication	Luo, Ming; Long, Lipeng; Zhang, Hong; Yang, Yuhui; Hua, Yuhui; Liu, Gang; Lin, Zhenyang; Xia, Haiping
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	5
Pages of publication	1822 - 1825
a	23.7295 ± 0.0005 Å
b	13.9429 ± 0.0002 Å
c	20.7926 ± 0.0004 Å
α	90°
β	108.662 ± 0.002°
γ	90°
Cell volume	6517.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
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	0.0796
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.2051
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193090 (current)	2017-03-04	cif/ Adding structures of 4125693, 4125694, 4125695, 4125696 via cif-deposit CGI script.	4125695.cif