Crystallography Open Database

Information card for entry 1505750

Preview

Coordinates	1505750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 Cl6 N6 O23 Pt3 Y2
Calculated formula	C36 H18 Cl6 N6 O23 Pt3 Y2
Title of publication	A thermally stable Pt/Y-based metal-organic framework: Exploring the accessibility of the metal centers with spectroscopic methods using H2O, CH3OH, and CH3CN as probes.
Authors of publication	Szeto, Kai Chung; Lillerud, Karl Petter; Tilset, Mats; Bjørgen, Morten; Prestipino, Carmelo; Zecchina, Adriano; Lamberti, Carlo; Bordiga, Silvia
Journal of publication	The journal of physical chemistry. B
Year of publication	2006
Journal volume	110
Journal issue	43
Pages of publication	21509 - 21520
a	18.068 ± 0.004 Å
b	19.887 ± 0.004 Å
c	28.316 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	10174 ± 4 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1093
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505750.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505750.cif
47699	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505750 via cif-deposit CGI script.	1505750.cif