Crystallography Open Database

Information card for entry 4505910

Preview

Coordinates	4505910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 Ag3.52 Mo8 N14 Na0.48 O27
Calculated formula	C54 H42 Ag3.516 Mo8 N14 Na0.484 O27
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	11.0529 ± 0.001 Å
b	13.3248 ± 0.001 Å
c	13.3632 ± 0.0008 Å
α	100.674 ± 0.006°
β	94.942 ± 0.006°
γ	99.9 ± 0.007°
Cell volume	1891 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1131
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	0.905
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4505910.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505910.cif
57383	2012-05-18	cif/ Adding structures of 4505910, 4505911 via cif-deposit CGI script.	4505910.cif