Crystallography Open Database

Information card for entry 4505070

Preview

Coordinates	4505070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H20 Ba Cr2 N4 O18
Calculated formula	C32 H18 Ba Cr2 N4 O18
Title of publication	Heteropolymetallic Supramolecular Solid-State Architectures Constructed from [Cr(AA)(C2O4)2]-Tectons, and Sustained by Coordinative, Hydrogen Bond and π−π Stacking Interactions (AA = 2,2‘-Bipyridine; 1,10-Phenanthroline)
Authors of publication	Marinescu, Gabriela; Andruh, Marius; Julve, Miguel; Lloret, Francesc; Llusar, Rosa; Uriel, Santiago; Vaissermann, Jacqueline
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	1
Pages of publication	261
a	7.7608 ± 0.0012 Å
b	21.176 ± 0.004 Å
c	21.462 ± 0.004 Å
α	90°
β	99.52 ± 0.004°
γ	90°
Cell volume	3478.5 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
179585 (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 4/50/50.	4505070.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505070.cif
50140	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4505070 via cif-deposit CGI script.	4505070.cif