Crystallography Open Database

Information card for entry 4331009

Preview

Coordinates	4331009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H56 Cu2.09 F12 N12 O2 P2
Calculated formula	C58 H56 Cu2.0001 F12 N12 O2 P2
Title of publication	Chiral Tripodal Ligand Containing Three N-Heterocyclic Donor Functions and Its Copper Complexes: Crystallization of [LCuI]22+/[L2CuII]2+ Stereoisomers and Tyrosinase Activity
Authors of publication	Aline Arnold; Christian Limberg; Ramona Metzinger
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12210 - 12217
a	10.4478 ± 0.0004 Å
b	12.4479 ± 0.0006 Å
c	12.9268 ± 0.0006 Å
α	106.35 ± 0.004°
β	103.954 ± 0.003°
γ	109.044 ± 0.003°
Cell volume	1418.41 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4331009.cif
80470	2013-04-07	cif/ Adding structures of 4331009 via cif-deposit CGI script.	4331009.cif