Crystallography Open Database

Information card for entry 7211838

Preview

Coordinates	7211838.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[1.5(4,4-bipy)Ni(picolinate)].DMSO.MeOH
Formula	C25 H24 N4 Ni O6 S
Calculated formula	C24.8 H20.4 N4 Ni O5.9 S
Title of publication	Transition metal dipicolinates as designer T-shaped building blocks
Authors of publication	Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	5
Pages of publication	1576
a	8.5299 ± 0.0005 Å
b	18.6015 ± 0.0011 Å
c	16.0248 ± 0.001 Å
α	90°
β	94.641 ± 0.002°
γ	90°
Cell volume	2534.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7211838.cif
180449	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/18.	7211838.cif
92422	2014-01-12	cif/ Adding structures of 7211832, 7211833, 7211834, 7211835, 7211836, 7211837, 7211838, 7211839 via cif-deposit CGI script.	7211838.cif