Crystallography Open Database

Information card for entry 4500995

Preview

Coordinates	4500995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H96 Fe2 N2 O21
Calculated formula	C18 H6 Fe2 O12
Title of publication	Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology
Authors of publication	Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	7
Pages of publication	2717
a	22.1408 ± 0.001 Å
b	22.1408 ± 0.001 Å
c	22.1408 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	10853.8 ± 0.8 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.0991
Weighted residual factors for significantly intense reflections	0.2797
Weighted residual factors for all reflections included in the refinement	0.3104
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179540 (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 4/50/09.	4500995.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500995.cif
34718	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500991, 4500992, 4500993, 4500994, 4500995, 4500996, 4500997 via cif-deposit CGI script.	4500995.cif