Crystallography Open Database

Information card for entry 4500299

Preview

Coordinates	4500299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H36 Cd3 N8 O13
Calculated formula	C54 H34 Cd3 N8 O13
Title of publication	Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement
Authors of publication	Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1159
a	33.015 ± 0.004 Å
b	12.0251 ± 0.0016 Å
c	25.366 ± 0.003 Å
α	90°
β	93.295 ± 0.002°
γ	90°
Cell volume	10054 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0724
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179533 (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 4/50/02.	4500299.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500299.cif
34440	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500299, 4500300, 4500301, 4500302, 4500303, 4500304 via cif-deposit CGI script.	4500299.cif