Crystallography Open Database

Information card for entry 4329053

Preview

Coordinates	4329053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 Ho2 N8 O55 P W12
Calculated formula	C40 H32 Ho2 N8 O55 P W12
Title of publication	Metal-Organic Frameworks with Phosphotungstate Incorporated for Hydrolytic Cleavage of a DNA-Model Phosphodiester
Authors of publication	Qiuxia Han; Lejie Zhang; Cheng He; Jiangyang Niu; Chunying Duan
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5118 - 5127
a	19.319 ± 0.006 Å
b	17.529 ± 0.005 Å
c	11.725 ± 0.004 Å
α	90°
β	105.998 ± 0.004°
γ	90°
Cell volume	3817 ± 2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
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	0.1201
Residual factor for significantly intense reflections	0.109
Weighted residual factors for significantly intense reflections	0.3407
Weighted residual factors for all reflections included in the refinement	0.3474
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179393 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/90.	4329053.cif
78093	2013-04-01	cif/ Adding structures of 4329053 via cif-deposit CGI script.	4329053.cif