Crystallography Open Database

Information card for entry 7040436

Preview

Coordinates	7040436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 Cu2 Mn N10 O10
Calculated formula	C33 H26 Cu2 Mn N10 O10
Title of publication	A discrete Cu cluster and a 3D Mn(II)-Cu(II) framework based on assembly of Mn2Cu4 clusters: synthesis, structure and magnetic properties.
Authors of publication	Chakraborty, Anindita; Escuer, Albert; Ribas, Joan; Maji, Tapas Kumar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	39
Pages of publication	15523 - 15531
a	19.165 ± 0.005 Å
b	19.165 ± 0.006 Å
c	18.967 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6967 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
188133 (current)	2016-11-08	cif/ Updating files of 7040435, 7040436 Original log message: Adding full bibliography for 7040435--7040436.cif.	7040436.cif
187094	2016-10-08	cif/ Updating files of 7040435, 7040436 Original log message: Adding full bibliography for 7040435--7040436.cif.	7040436.cif
185945	2016-08-23	cif/ Adding structures of 7040435, 7040436 via cif-deposit CGI script.	7040436.cif