Crystallography Open Database

Information card for entry 4507698

Preview

Coordinates	4507698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Cd N2.5 Na1.5 O9
Calculated formula	C15 H9 Cd N2.5 Na1.5 O9
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	13.3441 ± 0.001 Å
b	43.503 ± 0.005 Å
c	13.1326 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	7623.6 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4507698.cif
85631	2013-05-07	cif/ Adding structures of 4507698, 4507699 via cif-deposit CGI script.	4507698.cif