Crystallography Open Database

Information card for entry 4345041

Preview

Coordinates	4345041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H58 Co K2 N8 O7 S
Calculated formula	C31 H58 Co K2 N8 O7 S
Title of publication	Modulating the Primary and Secondary Coordination Spheres within a Series of Co(II)-OH Complexes.
Authors of publication	Jones, Jason R.; Ziller, Joseph W.; Borovik, A. S.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	3
Pages of publication	1112 - 1120
a	11.9841 ± 0.0007 Å
b	12.9122 ± 0.0007 Å
c	14.8689 ± 0.0008 Å
α	68.6652 ± 0.0007°
β	87.4545 ± 0.0008°
γ	69.8767 ± 0.0007°
Cell volume	2003.73 ± 0.19 Å³
Cell temperature	88 ± 2 K
Ambient diffraction temperature	88 ± 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	0.0497
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
193459 (current)	2017-03-04	cif/ Updating files of 4345041, 4345042 Original log message: Adding full bibliography for 4345041--4345042.cif.	4345041.cif
190603	2017-01-18	cif/ Adding structures of 4345041 via cif-deposit CGI script.	4345041.cif