Crystallography Open Database

Information card for entry 4503192

Preview

Coordinates	4503192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 N O5 Sr
Calculated formula	C23 H23 N O5 Sr
Title of publication	Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands
Authors of publication	Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	3
Pages of publication	911
a	7.5731 ± 0.0012 Å
b	10.5515 ± 0.0016 Å
c	25.875 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2067.6 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0507
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179562 (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 4/50/31.	4503192.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503192.cif
41400	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503182, 4503183, 4503184, 4503185, 4503186, 4503187, 4503188, 4503189, 4503190, 4503191, 4503192, 4503193, 4503194, 4503195 via cif-deposit CGI script.	4503192.cif