Crystallography Open Database

Information card for entry 7701901

7701900 << 7701901 >> 7701902

Preview

Coordinates	7701901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H43 Cl2 Mn2 N12 O11
Calculated formula	C46 H43 Cl2 Mn2 N12 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	21.3934 ± 0.0011 Å
b	21.7926 ± 0.0011 Å
c	11.626 ± 0.0006 Å
α	90°
β	115.314 ± 0.003°
γ	90°
Cell volume	4899.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0977
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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.	7701901.cif