Crystallography Open Database

Information card for entry 4500073

Preview

Coordinates	4500073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C134.5 H128 N40 O7.5 S5
Calculated formula	C134.5 H128 N40 O7.5 S5
Title of publication	Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2',7,7'-Tetraphenyl-9,9'-spirobi[9H-fluorene]
Authors of publication	Eric Demers; Thierry Maris; James D. Wuest
Journal of publication	Cryst. Growth & Design
Year of publication	2005
Journal volume	5
Pages of publication	1227 - 1235
a	12.2162 ± 0.001 Å
b	21.2975 ± 0.0017 Å
c	30.884 ± 0.002 Å
α	93.026 ± 0.003°
β	94.69 ± 0.004°
γ	96.419 ± 0.003°
Cell volume	7942.5 ± 1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1295
Residual factor for significantly intense reflections	0.0929
Weighted residual factors for significantly intense reflections	0.2332
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4500073.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4500073.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4500073.cif
26818	2011-09-26	../uploads/cif-deposit/cod/cif Adding structures of 4500073, 4500074 via cif-deposit CGI script.	4500073.cif