Crystallography Open Database

Information card for entry 4511525

Preview

Coordinates	4511525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H20 O9
Calculated formula	C33 H20 O9
Title of publication	Layered Compounds Incorporating 9,9‘-Spirobifluorene: Hydrogen-Bonded and Metal−Organic Networks Derived from 9,9‘-Spirobifluorene-2,2‘,7,7‘-tetracarboxylic Acid
Authors of publication	Clews, Peter K.; Douthwaite, Richard E.; Kariuki, Benson M.; Moore, Terry; Taboada, Miguel
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	9
Pages of publication	1991
a	10.6433 ± 0.0007 Å
b	17.6587 ± 0.0009 Å
c	39.085 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7345.9 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P c a b
Hall space group symbol	-P 2bc 2ac
Residual factor for all reflections	0.2683
Residual factor for significantly intense reflections	0.1919
Weighted residual factors for significantly intense reflections	0.4323
Weighted residual factors for all reflections included in the refinement	0.4975
Goodness-of-fit parameter for all reflections included in the refinement	1.492
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
179662 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/15.	4511525.cif
118643	2014-06-30	cif/ Adding structures of 4511525, 4511526 via cif-deposit CGI script.	4511525.cif