Crystallography Open Database

Information card for entry 7217728

Preview

Coordinates	7217728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C170 H125 Cl20 N12 O4 Zn4
Calculated formula	C124 H84 Cl8 N12 Zn4
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	14.3701 ± 0.0012 Å
b	22.089 ± 0.002 Å
c	26.512 ± 0.003 Å
α	95.414 ± 0.006°
β	95.48 ± 0.006°
γ	92.935 ± 0.005°
Cell volume	8324.2 ± 1.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1933
Weighted residual factors for all reflections included in the refinement	0.2079
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180508 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/77.	7217728.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.	7217728.cif
121921	2014-08-14	cif/ Adding structures of 7217724, 7217725, 7217726, 7217727, 7217728, 7217729 via cif-deposit CGI script.	7217728.cif