Crystallography Open Database

Information card for entry 7026395

Preview

Coordinates	7026395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Ca Cd N2 O10
Calculated formula	C22 H22 Ca Cd N2 O10
Title of publication	Syntheses, topological analyses, and NLO-active properties of new Cd(II)/M(II) (M = Ca, Sr) metal-organic frameworks based on R-isophthalic acids (R = H, OH, and t-Bu).
Authors of publication	Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	44
Pages of publication	10719 - 10728
a	19.131 ± 0.005 Å
b	19.226 ± 0.005 Å
c	7.1899 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2644.5 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0618
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179969 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/63.	7026395.cif
93487	2014-01-13	cif/ Adding structures of 7026395, 7026396, 7026397, 7026398 via cif-deposit CGI script.	7026395.cif