Crystallography Open Database

Information card for entry 4505911

Preview

Coordinates	4505911.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H91 Ag6 Mo16 N28 O57
Calculated formula	C108 H88 Ag6 Mo16 N28 O57
Title of publication	pH-Controlled Assembly of Two Unusual Entangled Motifs Based on a Tridentate Ligand and Octamolybdate Clusters: 1D + 1D →3D Poly-Pseudorotaxane and 2D →2D →3D Polycatenation
Authors of publication	Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2272
a	13.0784 ± 0.0003 Å
b	15.6015 ± 0.0006 Å
c	18.7501 ± 0.0007 Å
α	69.258 ± 0.003°
β	85.174 ± 0.002°
γ	73.439 ± 0.002°
Cell volume	3428.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	0.832
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
179595 (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 4/50/59.	4505911.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505911.cif
57383	2012-05-18	cif/ Adding structures of 4505910, 4505911 via cif-deposit CGI script.	4505911.cif