Crystallography Open Database

Information card for entry 7019464

7019463 << 7019464 >> 7019465

Preview

Coordinates	7019464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 Cl2 Cu2 N6 O10
Calculated formula	C27 H34 Cl2 Cu2 N6 O10
Title of publication	Doubly phenoxo-hydroxo-bridged dicopper(ii) complexes: individual contributions of the bridges to antiferromagnetic coupling based on two related biomimetic models for catechol oxidases.
Authors of publication	Rey, Nicolás A; Neves, Ademir; Bortoluzzi, Adailton J.; Haase, Wolfgang; Tomkowicz, Zbigniew
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	24
Pages of publication	7196 - 7200
a	16.607 ± 0.001 Å
b	11.022 ± 0.002 Å
c	17.33 ± 0.001 Å
α	90°
β	91.561 ± 0.005°
γ	90°
Cell volume	3170.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1118
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179898 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94.	7019464.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019464.cif
62875	2012-07-09	cif/ Adding structures of 7019464 via cif-deposit CGI script.	7019464.cif