Crystallography Open Database

Information card for entry 7060716

Preview

Coordinates	7060716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 I2 N4 Zn
Calculated formula	C36 H42 I2 N4 Zn
Title of publication	Selective guest inclusion of linear C6 hydrocarbons in a Zn(ii) 1D coordination polymer
Authors of publication	Caruso, Manfredi; Cametti, Massimo; Rissanen, Kari; Martí-Rujas, Javier
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	28
Pages of publication	12448 - 12452
a	14.8749 ± 0.0002 Å
b	22.8089 ± 0.0002 Å
c	10.34 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3508.16 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2627
Weighted residual factors for all reflections included in the refinement	0.2666
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.82656 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268845 (current)	2021-09-06	cif/ Updating files of 7060716 Original log message: Adding full bibliography for 7060716.cif.	7060716.cif
266344	2021-06-10	cif/ Adding structures of 7060716 via cif-deposit CGI script.	7060716.cif