Crystallography Open Database

Information card for entry 7036682

Preview

Coordinates	7036682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H74 Cd5 N42 O13
Calculated formula	C50 H36 Cd5 N40 O4
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	12.6177 ± 0.0019 Å
b	12.5869 ± 0.0018 Å
c	28.561 ± 0.004 Å
α	90°
β	96.843 ± 0.002°
γ	90°
Cell volume	4503.7 ± 1.1 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.1205
Weighted residual factors for significantly intense reflections	0.3052
Weighted residual factors for all reflections included in the refinement	0.3058
Goodness-of-fit parameter for all reflections included in the refinement	0.87
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.	7036682.cif
159043	2015-09-30	cif/ Adding structures of 7036681, 7036682, 7036683 via cif-deposit CGI script.	7036682.cif