Crystallography Open Database

Information card for entry 4337596

Preview

Coordinates	4337596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H38 N6 Ni2 O6 S2 Zn
Calculated formula	C37 H36 N6 Ni2 O6 S2 Zn
Title of publication	Isolation of two different Ni2Zn complexes with an unprecedented cocrystal formed by one of them and a "coordination positional isomer" of the other.
Authors of publication	Das, Lakshmi Kanta; Biswas, Apurba; Gómez-García, Carlos J; Drew, Michael G. B.; Ghosh, Ashutosh
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	434 - 445
a	27.683 ± 0.014 Å
b	9.304 ± 0.005 Å
c	30.671 ± 0.015 Å
α	90°
β	95.513 ± 0.005°
γ	90°
Cell volume	7863 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1204
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1572
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179478 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/75.	4337596.cif
106480	2014-03-15	cif/ Adding structures of 4337593, 4337594, 4337595, 4337596 via cif-deposit CGI script.	4337596.cif