Crystallography Open Database

Information card for entry 7034482

Preview

Coordinates	7034482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H66.5 B2 F8 N7.5 O6 Zn
Calculated formula	C71 H66.5 B2 F8 N7.5 O6 Zn
Title of publication	Study of the one-photon and two-photon properties of two water-soluble terpyridines and their zinc complexes.
Authors of publication	Shi, Pengfei; Jiang, Qin; Zhao, Xuesong; Zhang, Qiong; Tian, Yupeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	17
Pages of publication	8041 - 8048
a	15.4795 ± 0.0007 Å
b	15.778 ± 0.0007 Å
c	16.7889 ± 0.0008 Å
α	102.259 ± 0.004°
β	111.596 ± 0.004°
γ	107.951 ± 0.004°
Cell volume	3372.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1191
Residual factor for significantly intense reflections	0.0901
Weighted residual factors for significantly intense reflections	0.2532
Weighted residual factors for all reflections included in the refinement	0.279
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7034482.cif
138759	2015-06-07	cif/ Updating files of 7034481, 7034482, 7034483, 7034484 Original log message: Adding full bibliography for 7034481--7034484.cif.	7034482.cif
134174	2015-03-20	cif/ Adding structures of 7034481, 7034482, 7034483, 7034484 via cif-deposit CGI script.	7034482.cif