Crystallography Open Database

Information card for entry 4509832

Preview

Coordinates	4509832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.7 H11.05 Cd0.5 N2.65 O5.4
Calculated formula	C16.7 H11.05 Cd0.5 N2.65 O5.4
Title of publication	Cocrystal Controlled Solid-State Synthesis of a Thermally Stable Nicotinate Analogue That Sustains an Isostructural Series of Porous Metal−Organic Materials
Authors of publication	Perman, Jason A.; Dubois, Kevin; Nouar, Farid; Zoccali, Sandra; Wojtas, Łukasz; Eddaoudi, Mohamed; Larsen, Randy W.; Zaworotko, Michael J.
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	12
Pages of publication	5021
a	8.393 ± 0.0004 Å
b	22.2351 ± 0.001 Å
c	18.7421 ± 0.0008 Å
α	90°
β	94.031 ± 0.002°
γ	90°
Cell volume	3489 ± 0.3 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	0.0815
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1621
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54178 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.	4509832.cif
97516	2014-01-29	cif/ Adding structures of 4509832 via cif-deposit CGI script.	4509832.cif