Crystallography Open Database

Information card for entry 7215490

Preview

Coordinates	7215490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 Cd3 N6 O16 P2
Calculated formula	C50 H44 Cd3 N6 O16 P2
Title of publication	Syntheses, structures, luminescence and molecular recognition properties of four new cadmium carboxyphosphonates with 2D layered and 3D supramolecular structures
Authors of publication	Dai, Lu-Lu; Zhu, Yan-Yu; Jiao, Cheng-Qi; Sun, Zhen-Gang; Shi, Shao-Ping; Zhou, Wei; Li, Wen-Zhu; Sun, Tong; Luo, Hui; Ma, Ming-Xue
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	23
Pages of publication	5050
a	13.9812 ± 0.0014 Å
b	14.7218 ± 0.0014 Å
c	15.0185 ± 0.0014 Å
α	103.264 ± 0.002°
β	92.471 ± 0.002°
γ	110.865 ± 0.001°
Cell volume	2784.9 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
180485 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/54.	7215490.cif
116196	2014-06-07	cif/ Updating files of 7215488, 7215489, 7215490, 7215491 Original log message: Adding full bibliography for 7215488--7215491.cif.	7215490.cif
112297	2014-04-30	cif/ Adding structures of 7215488, 7215489, 7215490, 7215491 via cif-deposit CGI script.	7215490.cif