Crystallography Open Database

Information card for entry 7036683

Preview

Coordinates	7036683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H132 Cd9 N76 O21
Calculated formula	C88 H62 Cd9 N70 O10
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	39.073 ± 0.008 Å
b	19.229 ± 0.004 Å
c	13.798 ± 0.003 Å
α	90°
β	103.6 ± 0.03°
γ	90°
Cell volume	10076 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	7036683.cif
159043	2015-09-30	cif/ Adding structures of 7036681, 7036682, 7036683 via cif-deposit CGI script.	7036683.cif