Crystallography Open Database

Information card for entry 4504271

Preview

Coordinates	4504271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H56 Br2 D2 N18 O3 Zn2
Calculated formula	C54 H56 Br2 D2 N18 O3 Zn2
Title of publication	Deuteration Effect of Ferroelectricity and Permittivity on Homochiral Zinc Coordination Compound
Authors of publication	Ye, Qiong; Song, Yu-Mei; Fu, Da-Wei; Wang, Guo-Xi; Xiong, Ren-Gen; Chan, Philip Wai Hong; Huang, Songping D.
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	9
Pages of publication	1568 - 1570
a	10.5121 ± 0.0009 Å
b	10.7994 ± 0.0009 Å
c	13.9968 ± 0.0012 Å
α	82.225 ± 0.002°
β	69.143 ± 0.001°
γ	72.457 ± 0.001°
Cell volume	1415.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0748
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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