Crystallography Open Database

Information card for entry 7125396

Preview

Coordinates	7125396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 N7 Ni O5 S2
Calculated formula	C25 H21 N7 Ni O5 S2
Title of publication	Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.
Authors of publication	Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2019
Journal volume	55
Journal issue	77
Pages of publication	11547 - 11550
a	10.3308 ± 0.0002 Å
b	11.4554 ± 0.0003 Å
c	23.6689 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2801.06 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
237849 (current)	2019-11-24	cif/ Adding structures of 7125396, 7125397, 7125398 via cif-deposit CGI script.	7125396.cif