Crystallography Open Database

Information card for entry 7217726

Preview

Coordinates	7217726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H43 Cl3 I4 N6 Zn2
Calculated formula	C63 H43 Cl3 I4 N6 Zn2
Title of publication	Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes
Authors of publication	Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	37
Pages of publication	8691
a	14.9652 ± 0.001 Å
b	16.3097 ± 0.0012 Å
c	24.4444 ± 0.0018 Å
α	90°
β	91.698 ± 0.002°
γ	90°
Cell volume	5963.7 ± 0.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0728
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7217726.cif
123427	2014-09-08	cif/ Updating files of 7217724, 7217725, 7217726, 7217727, 7217728, 7217729 Original log message: Adding full bibliography for 7217724--7217729.cif.	7217726.cif
121921	2014-08-14	cif/ Adding structures of 7217724, 7217725, 7217726, 7217727, 7217728, 7217729 via cif-deposit CGI script.	7217726.cif