Crystallography Open Database

Information card for entry 7034484

Preview

Coordinates	7034484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H31 N3 O3
Calculated formula	C34 H31 N3 O3
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	21.569 ± 0.002 Å
b	11.9264 ± 0.0013 Å
c	11.1252 ± 0.0009 Å
α	90°
β	100.59 ± 0.01°
γ	90°
Cell volume	2813.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2115
Residual factor for significantly intense reflections	0.122
Weighted residual factors for significantly intense reflections	0.3143
Weighted residual factors for all reflections included in the refinement	0.3825
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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