Crystallography Open Database

Information card for entry 4502023

4502022 << 4502023 >> 4502024

Preview

Coordinates	4502023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9.5 H16 Cu0.25 N1.5 O2.75 Si0.125
Calculated formula	C3.5 H2 Cu0.25 O1.25 Si0.125
Title of publication	Structural Diversity in Metal−Organic Frameworks Built from Rigid Tetrahedral [Si(p-C6H4CO2)4]4−Struts
Authors of publication	Davies, Robert P.; Less, Rob; Lickiss, Paul D.; Robertson, Karen; White, Andrew J. P.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	10
Pages of publication	4571
a	12.371 ± 0.0012 Å
b	12.371 ± 0.0012 Å
c	24.0689 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3683.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	131
Hermann-Mauguin space group symbol	P 42/m m c
Hall space group symbol	-P 4c 2
Residual factor for all reflections	0.2156
Residual factor for significantly intense reflections	0.1879
Weighted residual factors for significantly intense reflections	0.4202
Weighted residual factors for all reflections included in the refinement	0.4358
Goodness-of-fit parameter for all reflections included in the refinement	1.393
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4502023.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502023.cif
36205	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502021, 4502022, 4502023, 4502024, 4502025, 4502026 via cif-deposit CGI script.	4502023.cif