Crystallography Open Database

Information card for entry 4321858

Preview

Coordinates	4321858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H27.5 N6 Ni O4.75
Calculated formula	C38 H28 N6 Ni O5
Title of publication	Bivalent, Trivalent, and Tetravalent Nickel Complexes with a Common Tridentate Deprotonated Pyridine Bis-Amide Ligand. Molecular Structures of Nickel(II) and Nickel(IV) and Redox Activity
Authors of publication	Apurba Kumar Patra; Rabindranath Mukherjee
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	1388 - 1393
a	14.874 ± 0.007 Å
b	13.3 ± 0.004 Å
c	16.604 ± 0.005 Å
α	90 ± 0.03°
β	99.68 ± 0.03°
γ	90 ± 0.03°
Cell volume	3238 ± 2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.164
Residual factor for significantly intense reflections	0.061
Weighted residual factors for all reflections	0.159
Weighted residual factors for significantly intense reflections	0.064
Goodness-of-fit parameter for all reflections	1.984
Goodness-of-fit parameter for significantly intense reflections	1.305
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoK-alpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4321858.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321858.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321858.cif
19700	2011-05-25	../uploads/cif-deposit/cod/cif Adding structures of 4321858 via cif-deposit CGI script.	4321858.cif