Crystallography Open Database

Information card for entry 4512613

Preview

Coordinates	4512613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H22 N8 Ni O6
Calculated formula	C21 H20 N8 Ni O6
Title of publication	Assembly of Binuclear, Tetranuclear, and Multinuclear Complexes from Pincer-Like Mononuclear Metallotectons: Structural Diversity Dependent on Precursors
Authors of publication	Zheng, Sheng-Run; Pan, Mei; Wu, Kai; Chen, Ling; Jiang, Ji-Jun; Wang, Da-Wei; Shi, Jian-Ying; Su, Cheng-Yong
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	2
Pages of publication	625
a	14.888 ± 0.003 Å
b	11.648 ± 0.002 Å
c	14.253 ± 0.003 Å
α	90°
β	114.83 ± 0.03°
γ	90°
Cell volume	2243.2 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
179674 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/26.	4512613.cif
132760	2015-03-04	cif/ Updating files of 4512610, 4512611, 4512612, 4512613, 4512614, 4512615, 4512616, 4512617 Original log message: Adding full bibliography for 4512610--4512617.cif.	4512613.cif
130360	2015-02-04	cif/ Adding structures of 4512610, 4512611, 4512612, 4512613, 4512614, 4512615, 4512616, 4512617 via cif-deposit CGI script.	4512613.cif