Crystallography Open Database

Information card for entry 7012613

Preview

Coordinates	7012613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H41.5 Cl2 Mn4.5 N2 O17.5
Calculated formula	C52.5 H41.5 Cl2 Mn4.5 N2 O17.5
Title of publication	Novel octanuclear and enneanuclear manganese clusters with carboxylate and pyrimidine ligands
Authors of publication	Brechin, Euan K.; Christou, George; Soler, Monica; Helliwell, Madeleine; Teat, Simon J.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	4
Pages of publication	513
a	17.691 ± 0.005 Å
b	24.076 ± 0.006 Å
c	25.499 ± 0.007 Å
α	90°
β	93.06 ± 0.006°
γ	90°
Cell volume	10845 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1584
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.088
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	0.654
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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