Crystallography Open Database

Information card for entry 4336739

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Coordinates	4336739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H62 Cl2 Mn N3 O6 P6
Calculated formula	C73 H60 Cl2 Mn N3 O6 P6
Title of publication	Spin-Relaxation Properties of a High-Spin Mononuclear MnIIIO6-Containing Complex
Authors of publication	Alexios Grigoropoulos; Michael Pissas; Patroklos Papatolis; Vassilis Psycharis; Panayotis Kyritsis; Yiannis Sanakis
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12869 - 12871
a	13.4849 ± 0.0003 Å
b	13.6651 ± 0.0003 Å
c	18.6518 ± 0.0003 Å
α	95.318 ± 0.001°
β	98.276 ± 0.001°
γ	97.024 ± 0.001°
Cell volume	3354.35 ± 0.12 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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