Crystallography Open Database

Information card for entry 4105721

Preview

Coordinates	4105721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl9 Hg6 In2 P3
Calculated formula	Cl9 Hg6 In2 P3
Title of publication	Inorganic Supramolecular Compounds with 3-D Chiral Frameworks Show Potential as Both Mid-IR Second-Order Nonlinear Optical and Piezoelectric Materials
Authors of publication	Xiao-Ming Jiang; Ming-Jian Zhang; Hui-Yi Zeng; Guo-Cong Guo; Jin-Shun Huang
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	3410 - 3418
a	10.3014 ± 0.0011 Å
b	10.6935 ± 0.0008 Å
c	10.837 ± 0.0012 Å
α	90°
β	116.249 ± 0.004°
γ	90°
Cell volume	1070.68 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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