Crystallography Open Database

Information card for entry 7701902

7701901 << 7701902 >> 7701903

Preview

Coordinates	7701902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H45.5 Cl2 Cu2 N11.5 O11.5
Calculated formula	C42.002 H45.503 Cl2 Cu2 N11.501 O11.5
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	12.8864 ± 0.0008 Å
b	13.153 ± 0.0008 Å
c	16.606 ± 0.0011 Å
α	80.111 ± 0.002°
β	71.25 ± 0.002°
γ	61.869 ± 0.001°
Cell volume	2349.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1727
Weighted residual factors for all reflections included in the refinement	0.177
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	7701902.cif