Crystallography Open Database

Information card for entry 4513618

Preview

Coordinates	4513618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 N4 Na O12
Calculated formula	C28 H18 N4 Na O12
SMILES	O.[Na+].O.Oc1ccc(/N=N/c2cc(C(=O)O)cc(C(=O)O)c2)cc1.Oc1ccc(cc1)/N=N/c1cc(cc(c1)C(=O)[O-])C(O)=O
Title of publication	New Series of ZnII/CdIIMixed Ligand Coordination Polymers: Toward the Design of Metallogels
Authors of publication	Husain, Ahmad; Parveen, Rumana; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	10
Pages of publication	5075
a	21.8715 ± 0.0017 Å
b	7.4843 ± 0.0006 Å
c	32.824 ± 0.002 Å
α	90°
β	94.418 ± 0.005°
γ	90°
Cell volume	5357.1 ± 0.7 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230.15 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	0.1391
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1959
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation probe	x-ray
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
286259 (current)	2023-09-07	cif/4 Fixing Z values and formulae	4513618.cif
170778	2015-12-06	cif/ Updating files of 4513613, 4513614, 4513615, 4513616, 4513617, 4513618, 4513619, 4513620 Original log message: Adding full bibliography for 4513613--4513620.cif.	4513618.cif
156334	2015-09-16	cif/ Adding structures of 4513618 via cif-deposit CGI script.	4513618.cif