Crystallography Open Database

Information card for entry 4508655

Preview

Coordinates	4508655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Co N3 O6
Calculated formula	C15 H13 Co N3 O6
Title of publication	One-Dimensional Chains, Two-Dimensional Corrugated Sheets Having a Cross-Linked Helix in Metal−Organic Frameworks: Exploring Hydrogen-Bond Capable Backbones and Ligating Topologies in Mixed Ligand Systems
Authors of publication	Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	8
Pages of publication	1903
a	9.179 ± 0.0007 Å
b	8.7296 ± 0.0007 Å
c	19.4811 ± 0.0015 Å
α	90°
β	91.315 ± 0.001°
γ	90°
Cell volume	1560.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
179622 (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 4/50/86.	4508655.cif
96829	2014-01-29	cif/ Adding structures of 4508655 via cif-deposit CGI script.	4508655.cif