Crystallography Open Database

Information card for entry 7110869

Preview

Coordinates	7110869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H28 Cr2 N8 Na2 O18
Calculated formula	C35 H24 Cr2 N8 Na2 O18
SMILES	[Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O3)[n]1c(c3[n]2cccc3)cccc1.[Na+].[Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)[n]1c(c2[n]3cccc2)cccc1.[Na+].n1n(Cn2nccc2)ccc1.O.O
Title of publication	Two dimensional stair-shaped coordination polymer exhibiting three-dimensional structure with cavities
Authors of publication	Zhang, Lei; Cheng, Peng; Tang, Liang-Fu; Jiang, Zong-Hui; Liao, Dai-Zheng; Yan, Shi-Ping; Wang, Geng-Lin; Weng, Lin-Hong
Journal of publication	Chemical Communications
Year of publication	2000
Journal issue	8
Pages of publication	717
a	9.3366 ± 0.0015 Å
b	9.5519 ± 0.0015 Å
c	22.527 ± 0.004 Å
α	96.259 ± 0.003°
β	95.649 ± 0.003°
γ	95.673 ± 0.003°
Cell volume	1975.1 ± 0.6 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	0.0783
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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
180222 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/08.	7110869.cif
95978	2014-01-28	cif/ Adding structures of 7110869 via cif-deposit CGI script.	7110869.cif