Crystallography Open Database

Information card for entry 7701903

7701902 << 7701903 >> 7701904

Preview

Coordinates	7701903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H42.5 Cl2 Cu2 N11.5 O11
Calculated formula	C45 H42.5 Cl2 Cu2 N11.5 O11
Title of publication	Catechol oxidase activity of comparable dimanganese and dicopper complexes.
Authors of publication	Magherusan, Adriana M.; Nelis, Daniel N.; Twamley, Brendan; McDonald, Aidan R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	43
Pages of publication	15555 - 15564
a	20.4647 ± 0.0008 Å
b	21.8424 ± 0.0008 Å
c	11.5893 ± 0.0004 Å
α	90°
β	111.258 ± 0.001°
γ	90°
Cell volume	4827.9 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
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
227803 (current)	2019-11-15	cif/ Adding structures of 7701900, 7701901, 7701902, 7701903 via cif-deposit CGI script.	7701903.cif