Crystallography Open Database

Information card for entry 4502026

4502025 << 4502026 >> 4502027

Preview

Coordinates	4502026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34.5 H34.5 N2.5 O9.5 Si Zn1.5
Calculated formula	C28 H16 O8 Si Zn1.5
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	14.1529 ± 0.0004 Å
b	23.406 ± 0.0006 Å
c	23.8325 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	7894.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	48
Hermann-Mauguin space group symbol	P n n n :2
Hall space group symbol	-P 2ab 2bc
Residual factor for all reflections	0.2155
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	0.674
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
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.	4502026.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502026.cif
36205	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502021, 4502022, 4502023, 4502024, 4502025, 4502026 via cif-deposit CGI script.	4502026.cif