Crystallography Open Database

Information card for entry 4000896

Preview

Coordinates	4000896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H22 Mn N10
Calculated formula	C40 H22 Mn N10
Title of publication	Flexibility of Porous Coordination Polymers Strongly Linked to Selective Sorption Mechanism
Authors of publication	Shimomura, Satoru; Matsuda, Ryotaro; Kitagawa, Susumu
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	14
Pages of publication	4129
a	11.616 ± 0.003 Å
b	12.503 ± 0.003 Å
c	14.891 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2162.7 ± 1 Å³
Cell temperature	223.1 K
Ambient diffraction temperature	223.1 K
Number of distinct elements	4
Space group number	49
Hermann-Mauguin space group symbol	P c c m
Hall space group symbol	-P 2 2c
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4000896.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000896.cif
36554	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000896 via cif-deposit CGI script.	4000896.cif