Crystallography Open Database

Information card for entry 4302889

Preview

Coordinates	4302889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 F6 N4 Ni2 O11 P
Calculated formula	C30 H45 F6 N4 Ni2 O11 P
Title of publication	Syntheses, X-ray Structures, and Physicochemical Properties of Phenoxo-Bridged Dinuclear Nickel(II) Complexes: Kinetics of Transesterification of 2-Hydroxypropyl-p-nitrophenylphosphate
Authors of publication	Sukanta Mandal; V. Balamurugan; Francesc Lloret; Rabindranath Mukherjee
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7544 - 7556
a	12.823 ± 0.005 Å
b	22.853 ± 0.005 Å
c	13.453 ± 0.005 Å
α	90 ± 0.005°
β	95.938 ± 0.005°
γ	90 ± 0.005°
Cell volume	3921 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0976
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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.	4302889.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302889.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302889.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4302889.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302889.cif