Crystallography Open Database

Information card for entry 4507699

Preview

Coordinates	4507699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Cd N Na O14
Calculated formula	C18 H15 Cd N Na O14
Title of publication	Synthesis and Structure of Two Acentric Heterometallic Inorganic‒Organic Hybrid Frameworks with Both Nonlinear Optical and Ferroelectric Properties
Authors of publication	Du, Fenglei; Zhang, Huabin; Tian, Chongbin; Du, Shaowu
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	4
Pages of publication	1736
a	18.6294 ± 0.001 Å
b	9.9345 ± 0.0005 Å
c	14.7424 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2728.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.1823
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179612 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/76.	4507699.cif
85631	2013-05-07	cif/ Adding structures of 4507698, 4507699 via cif-deposit CGI script.	4507699.cif