Crystallography Open Database

Information card for entry 7116003

Preview

Coordinates	7116003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H11 Mn2 N3 S5 Sb2
Calculated formula	C5.997 H11 Mn2 N3 S5 Sb2
Title of publication	A hybrid with uniaxial negative thermal expansion behaviour: the synergistic role of organic and inorganic components
Authors of publication	Kai-Yao Wang; Mei-Ling Feng; Liu-Jiang Zhou; Jian-Rong Li; Xing-Hui Qia; Xiao-Ying Huang
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	14960
a	12.5883 ± 0.0005 Å
b	12.352 ± 0.0005 Å
c	20.8164 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3236.8 ± 0.2 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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