Crystallography Open Database

Information card for entry 7039027

Preview

Coordinates	7039027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H78 N6 O6 Zn6
Calculated formula	C54 H78 N6 O6 Zn6
SMILES	C(C)(C)(C)[Zn]12[n]3cccc3=C[O]1[Zn]1(C(C)(C)C)[n]3cccc3=C[O]1[Zn]1(C(C)(C)C)[n]3cccc3=C[O]1[Zn]1(C(C)(C)C)[n]3cccc3=C[O]1[Zn]1(C(C)(C)C)[n]3cccc3=C[O]1[Zn]1(C(C)(C)C)[n]3c(ccc3)=C[O]21
Title of publication	Structural diversity of alkylzinc complexes with pyrrole-based N,O-ligands: from molecular complexes to coordination polymers.
Authors of publication	Wróbel, Zbigniew; Justyniak, Iwona; Dranka, Izabela; Lewiński, Janusz
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	17
Pages of publication	7240 - 7243
a	11.323 ± 0.0003 Å
b	12.296 ± 0.0006 Å
c	12.912 ± 0.0005 Å
α	64.145 ± 0.002°
β	68.888 ± 0.002°
γ	86.131 ± 0.003°
Cell volume	1500.55 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
182749 (current)	2016-05-06	cif/ Updating files of 7039025, 7039026, 7039027 Original log message: Adding full bibliography for 7039025--7039027.cif.	7039027.cif
182135	2016-04-15	cif/ Adding structures of 7039025, 7039026, 7039027 via cif-deposit CGI script.	7039027.cif