Crystallography Open Database

Information card for entry 7047554

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Structure parameters

Formula	C17 H23 Mn N5 O3
Calculated formula	C17 H23 Mn N5 O3
Title of publication	Seven-coordinated iron(ii) spin-crossover molecules: some learning from iron substitution in [Fe<sub>x</sub>Mn<sub>1-x</sub>(L<sub>222</sub>N<sub>3</sub>O<sub>2</sub>)(CN)<sub>2</sub>]·H<sub>2</sub>O solid solutions.
Authors of publication	Wang, Hongfeng; Baldé, Chérif; Grosjean, Arnaud; Desplanches, Cédric; Guionneau, Philippe; Chastanet, Guillaume
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	41
Pages of publication	14741 - 14750
a	17.5613 ± 0.0003 Å
b	12.0994 ± 0.0002 Å
c	10.1785 ± 0.0001 Å
α	90°
β	116.579 ± 0.001°
γ	90°
Cell volume	1934.18 ± 0.05 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 K
Number of distinct elements	5
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	0.0333
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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