Crystallography Open Database

Information card for entry 7206244

7206243 << 7206244 >> 7206245

Preview

Coordinates	7206244.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H27 In N2 O9
Calculated formula	C38 H27 In N2 O9
Title of publication	Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry
Authors of publication	Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	15
Pages of publication	4965
a	12.8039 ± 0.0009 Å
b	14.0375 ± 0.0009 Å
c	18.358 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3299.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0621
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
180393 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/62.	7206244.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206244.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206244.cif
23582	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206242, 7206243, 7206244, 7206245, 7206246 via cif-deposit CGI script.	7206244.cif