Crystallography Open Database

Information card for entry 4500076

Preview

Coordinates	4500076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H14 Cl6 N4
Calculated formula	C31 H14 Cl6 N4
Title of publication	Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes
Authors of publication	Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest
Journal of publication	Cryst. Growth & Design
Year of publication	2005
Journal volume	5
Pages of publication	1237 - 1245
a	14.006 ± 0.0003 Å
b	15.852 ± 0.0003 Å
c	14.318 ± 0.0004 Å
α	90°
β	99.78 ± 0.002°
γ	90°
Cell volume	3132.73 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179531 (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 4/50/00.	4500076.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4500076.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4500076.cif
26819	2011-09-26	../uploads/cif-deposit/cod/cif Adding structures of 4500075, 4500076, 4500077, 4500078, 4500079, 4500080 via cif-deposit CGI script.	4500076.cif