Crystallography Open Database

Information card for entry 7225791

Preview

Coordinates	7225791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 N8 O6 Zn
Calculated formula	C34 H38 N8 O6 Zn
Title of publication	Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands
Authors of publication	Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	35
Pages of publication	6614
a	10.0203 ± 0.0004 Å
b	11.3836 ± 0.0004 Å
c	15.9371 ± 0.0005 Å
α	82.852 ± 0.001°
β	87.396 ± 0.001°
γ	72.518 ± 0.001°
Cell volume	1720.39 ± 0.11 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0545
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
186346 (current)	2016-09-10	cif/ Updating files of 7225789, 7225790, 7225791, 7225792, 7225793, 7225794, 7225795, 7225796, 7225797, 7225798, 7225799, 7225800, 7225801 Original log message: Adding full bibliography for 7225789--7225801.cif.	7225791.cif
184139	2016-07-02	cif/ Adding structures of 7225789, 7225790, 7225791, 7225792, 7225793, 7225794, 7225795, 7225796, 7225797, 7225798, 7225799, 7225800, 7225801 via cif-deposit CGI script.	7225791.cif