Crystallography Open Database

Information card for entry 7033929

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Coordinates	7033929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H57.99 N8 O22.16 Ru Zn4
Calculated formula	C76 H58 N8 O22.148 Ru Zn4
Title of publication	A new photoactive Ru(ii)tris(2,2'-bipyridine) templated Zn(ii) benzene-1,4-dicarboxylate metal organic framework: structure and photophysical properties.
Authors of publication	Whittington, Christi L.; Wojtas, Lukasz; Gao, Wen-Yang; Ma, Shengqian; Larsen, Randy W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	12
Pages of publication	5331 - 5337
a	11.7838 ± 0.0004 Å
b	12.3757 ± 0.0004 Å
c	13.6009 ± 0.0004 Å
α	95.7503 ± 0.0012°
β	93.7677 ± 0.0011°
γ	109.033 ± 0.0009°
Cell volume	1855.35 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0307
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180045 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/39.	7033929.cif
135020	2015-04-06	cif/ Updating files of 7033929 Original log message: Adding full bibliography for 7033929.cif.	7033929.cif
131225	2015-02-06	cif/ Adding structures of 7033929 via cif-deposit CGI script.	7033929.cif