Crystallography Open Database

Information card for entry 4506991

Preview

Coordinates	4506991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H58 Mn2 N6 O12
Calculated formula	C77 H50 Mn2 N6 O12
Title of publication	Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances
Authors of publication	Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	12
Pages of publication	6074
a	19.5953 ± 0.0012 Å
b	22.1837 ± 0.001 Å
c	14.9874 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6515 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.2137
Residual factor for significantly intense reflections	0.1192
Weighted residual factors for significantly intense reflections	0.1733
Weighted residual factors for all reflections included in the refinement	0.202
Goodness-of-fit parameter for all reflections included in the refinement	1.194
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4506991.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506991.cif
71917	2013-01-21	cif/ Adding structures of 4506990, 4506991, 4506992, 4506993 via cif-deposit CGI script.	4506991.cif