Crystallography Open Database

Information card for entry 4506425

Preview

Coordinates	4506425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H51 Ag3 Mo12 N13 O42 P
Calculated formula	C45 H42 Ag3 Mo12 N13 O42 P
Title of publication	Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks
Authors of publication	Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	8
Pages of publication	3856
a	12.1185 ± 0.0012 Å
b	13.7109 ± 0.0013 Å
c	14.0587 ± 0.0014 Å
α	73.451 ± 0.002°
β	82.619 ± 0.002°
γ	73.22 ± 0.002°
Cell volume	2141.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.085
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
179600 (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 4/50/64.	4506425.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506425.cif
66154	2012-09-09	cif/ Adding structures of 4506421, 4506422, 4506423, 4506424, 4506425, 4506426 via cif-deposit CGI script.	4506425.cif