Crystallography Open Database

Information card for entry 4516846

Preview

Coordinates	4516846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H38 Br Cl3 N4 Ni O4
Calculated formula	C41 H38 Br Cl3.002 N4 Ni O4
Title of publication	Bite-Angle-Regulated Coordination Geometries: Tetrahedral and Trigonal Bipyramidal in Ni(II) with Biphenyl-Appended (2-Pyridyl)alkylamine <i>N</i>,<i>N</i>'-Bidentate Ligands.
Authors of publication	Sasi, Divya; Ramkumar, Venkatachalam; Murthy, Narasimha N.
Journal of publication	ACS omega
Year of publication	2017
Journal volume	2
Journal issue	6
Pages of publication	2474 - 2481
a	14.9042 ± 0.0009 Å
b	14.4103 ± 0.0009 Å
c	19.0672 ± 0.0009 Å
α	90°
β	101.68 ± 0.002°
γ	90°
Cell volume	4010.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0862
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.1098
Goodness-of-fit parameter for all reflections included in the refinement	1
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
239586 (current)	2019-11-24	cif/ Adding structures of 4516842, 4516843, 4516844, 4516845, 4516846, 4516847 via cif-deposit CGI script.	4516846.cif