Crystallography Open Database

Information card for entry 4302850

Preview

Coordinates	4302850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 B2 F8 N6 Ni
Calculated formula	C15 H22 B2 F8 N6 Ni
Title of publication	Imidazole-Containing (N3S)-NiII Complexes Relating to Nickel Containing Biomolecules
Authors of publication	Roxanne M. Jenkins; Michael L. Singleton; Elky Almaraz; Joseph H. Reibenspies; Marcetta Y. Darensbourg
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7280 - 7293
a	11.835 ± 0.0019 Å
b	13.9584 ± 0.0019 Å
c	13.0506 ± 0.0013 Å
α	90°
β	104.383 ± 0.007°
γ	90°
Cell volume	2088.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1455
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179066 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/28.	4302850.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302850.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302850.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302850.cif