Crystallography Open Database

Information card for entry 4088738

Preview

Coordinates	4088738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H32 Co N5 O2
Calculated formula	C19 H32 Co N5 O2
Title of publication	Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes
Authors of publication	Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	2806
a	20.7723 ± 0.0008 Å
b	14.1718 ± 0.0006 Å
c	15.2194 ± 0.0006 Å
α	90°
β	102.777 ± 0.002°
γ	90°
Cell volume	4369.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0594
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
237801 (current)	2019-11-24	cif/ Adding structures of 4088737, 4088738, 4088739, 4088740, 4088741, 4088742, 4088743, 4088744, 4088745, 4088746, 4088747, 4088748, 4088749, 4088750, 4088751, 4088752 via cif-deposit CGI script.	4088738.cif