Crystallography Open Database

Information card for entry 7039347

Preview

Coordinates	7039347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 Cl N9 Ni O3.5
Calculated formula	C26 H40 Cl N9 Ni O3.5
SMILES	[Ni]123(ON(=[O]1)=O)([n]1c([nH]c(C)c1Cc1[n]2c([nH]c1C)CC)CC)[n]1c([nH]c(C)c1Cc1[n]3c([nH]c1C)CC)CC.[Cl-].[Cl-].O
Title of publication	Reductive nitrosylation of nickel(ii) complex by nitric oxide followed by nitrous oxide release.
Authors of publication	Ghosh, Somnath; Deka, Hemanta; Dangat, Yuvraj B.; Saha, Soumen; Gogoi, Kuldeep; Vanka, Kumar; Mondal, Biplab
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	25
Pages of publication	10200 - 10208
a	9.7243 ± 0.0004 Å
b	33.0698 ± 0.0017 Å
c	9.7619 ± 0.0005 Å
α	90°
β	97.492 ± 0.003°
γ	90°
Cell volume	3112.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1297
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.1873
Weighted residual factors for all reflections included in the refinement	0.2342
Goodness-of-fit parameter for all reflections included in the refinement	1.181
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
192220 (current)	2017-02-17	cif/7 Fixing Z values and formulae	7039347.cif
185371	2016-08-07	cif/ Updating files of 7039345, 7039346, 7039347 Original log message: Adding full bibliography for 7039345--7039347.cif.	7039347.cif
183139	2016-05-28	cif/ Adding structures of 7039345, 7039346, 7039347 via cif-deposit CGI script.	7039347.cif