Crystallography Open Database

Information card for entry 4089061

Preview

Coordinates	4089061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H47 B10 N4 O2 P
Calculated formula	C33 H47 B10 N4 O2 P
Title of publication	Nucleophilicity of Oximes Based upon Addition to a Nitriliumcloso-Decaborate Cluster
Authors of publication	Bolotin, Dmitrii S.; Burianova, Valeria K.; Novikov, Alexander S.; Demakova, Marina Ya.; Pretorius, Carla; Mokolokolo, Pennie Petrus; Roodt, Andreas; Bokach, Nadezhda A.; Suslonov, Vitaliy V.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	20
Pages of publication	3612
a	9.9583 ± 0.0003 Å
b	12.4732 ± 0.0004 Å
c	15.1134 ± 0.0005 Å
α	75.084 ± 0.003°
β	85.019 ± 0.003°
γ	84.536 ± 0.003°
Cell volume	1801.97 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0795
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.1642
Goodness-of-fit parameter for all reflections included in the refinement	1.283
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237958 (current)	2019-11-24	cif/ Adding structures of 4089060, 4089061, 4089062, 4089063, 4089064, 4089065 via cif-deposit CGI script.	4089061.cif