Crystallography Open Database

Information card for entry 7036681

Preview

Coordinates	7036681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H61 Cd3 N28 O12
Calculated formula	C30 H20 Cd3 N25 O3
Title of publication	Constructing novel Cd(ii) metal-organic frameworks based on different highly connected secondary building units via alteration of reaction conditions.
Authors of publication	Liu, Yan-Qing; Ren, Guo-Jian; Zhang, Ying-Hui; Xu, Jian; Bu, Xian-He
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20361 - 20366
a	14.044 ± 0.003 Å
b	20.297 ± 0.004 Å
c	23.635 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	6737 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1138
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2123
Weighted residual factors for all reflections included in the refinement	0.2257
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
171242 (current)	2015-12-09	cif/ Updating files of 7036681, 7036682, 7036683 Original log message: Adding full bibliography for 7036681--7036683.cif.	7036681.cif
159043	2015-09-30	cif/ Adding structures of 7036681, 7036682, 7036683 via cif-deposit CGI script.	7036681.cif