Crystallography Open Database

Information card for entry 4321171

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Structure parameters

Formula	C37 H40 Cl2 N10 Ni O9
Calculated formula	C37 H40 Cl2 N10 Ni O9
Title of publication	Synthesis, Characterization, and Spontaneous Resolution of Chiral Nickel(II) Complexes with the Tripod Ligand Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]amine
Authors of publication	Ikuko Katsuki; Naohide Matsumoto; Masaaki Kojima
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	3350 - 3354
a	14.206 ± 0.002 Å
b	22.735 ± 0.003 Å
c	12.696 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4100.5 ± 1.3 Å³
Cell temperature	293.2 K
Ambient diffraction temperature	293.2 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	0.0697
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0435
Goodness-of-fit parameter for all reflections included in the refinement	2.46
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4321171.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321171.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321171.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321171.cif
18520	2011-05-01	../uploads/cif-deposit/cod/cif Adding structures of 4321171 via cif-deposit CGI script.	4321171.cif