Crystallography Open Database

Information card for entry 4505299

Preview

Coordinates	4505299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 N3 O3.5
Calculated formula	C34 H27 N3 O3.5
Title of publication	An Unusual Three-Dimensional Coordination Network Formed by Parallel Polycatenation of Two-Fold Interpenetrated (6,3) Layers Based on a Novel Three-Connecting Ligand
Authors of publication	Banfi, Stefano; Carlucci, Lucia; Caruso, Enrico; Ciani, Gianfranco; Proserpio, Davide M.
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	1
Pages of publication	29
a	30.7623 ± 0.0019 Å
b	8.6307 ± 0.0005 Å
c	25.0032 ± 0.0015 Å
α	90°
β	118.669 ± 0.002°
γ	90°
Cell volume	5824.5 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.06
Weighted residual factors for all reflections	0.1986
Weighted residual factors for significantly intense reflections	0.1747
Goodness-of-fit parameter for all reflections	1.093
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
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.	4505299.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505299.cif
51380	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505298, 4505299, 4505300 via cif-deposit CGI script.	4505299.cif