Crystallography Open Database

Information card for entry 4321972

4321971 << 4321972 >> 4321973

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Structure parameters

Formula	C17 H22 B Cu F4 N3 O
Calculated formula	C17 H22 B Cu F4 N3 O
Title of publication	Monoprotic Tetradentate N3O-Donor Ligands and Their Cu(II) and Ni(II) Complexes
Authors of publication	Hongyan Luo; Jem-Mau Lo; Phillip E. Fanwick; Joseph G. Stowell; Mark A. Green
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	2071 - 2078
a	9.158 ± 0.002 Å
b	10.714 ± 0.002 Å
c	19.085 ± 0.004 Å
α	90°
β	90.582 ± 0.015°
γ	90°
Cell volume	1872.5 ± 0.7 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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 significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.209
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
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.	4321972.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.	4321972.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321972.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321972.cif
19836	2011-05-26	../uploads/cif-deposit/cod/cif Adding structures of 4321972 via cif-deposit CGI script.	4321972.cif