Crystallography Open Database

Information card for entry 7032608

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Coordinates	7032608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H72 Cl Fe2 N15 O8 S3
Calculated formula	C75 H72 Cl Fe2 N15 O8 S3
Title of publication	Lattice water molecules tuned spin-crossover for an iron(ii) complex with thermal hysteresis.
Authors of publication	Luo, Yang-Hui; Yang, Li-Jing; Liu, Qing-Ling; Ling, Yang; Wang, Wei; Sun, Bai-Wang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	44
Pages of publication	16937 - 16942
a	10.4193 ± 0.0006 Å
b	26.9922 ± 0.0011 Å
c	14.3238 ± 0.0008 Å
α	90°
β	102.761 ± 0.006°
γ	90°
Cell volume	3928.9 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
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	0.0832
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1461
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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