Crystallography Open Database

Information card for entry 4508886

Preview

Coordinates	4508886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H66 Cd4 N12 O25
Calculated formula	C40 H66 Cd4 N12 O25
Title of publication	Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates
Authors of publication	Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	12
Pages of publication	2739
a	19.0544 ± 0.0011 Å
b	19.0544 ± 0.0011 Å
c	31.639 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	11487.2 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	133
Hermann-Mauguin space group symbol	P 42/n b c :2
Hall space group symbol	-P 4ac 2b
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179624 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/88.	4508886.cif
96997	2014-01-29	cif/ Adding structures of 4508886, 4508887, 4508888, 4508889 via cif-deposit CGI script.	4508886.cif