Crystallography Open Database

Information card for entry 4512612

Preview

Coordinates	4512612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 Cl2 N6 Ni O10
Calculated formula	C21 H26 Cl2 N6 Ni O10
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	20.955 ± 0.014 Å
b	15.726 ± 0.011 Å
c	8.128 ± 0.007 Å
α	90°
β	97.42 ± 0.015°
γ	90°
Cell volume	2656 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1858
Residual factor for significantly intense reflections	0.1096
Weighted residual factors for significantly intense reflections	0.2637
Weighted residual factors for all reflections included in the refinement	0.3011
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4512612.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.	4512612.cif
130360	2015-02-04	cif/ Adding structures of 4512610, 4512611, 4512612, 4512613, 4512614, 4512615, 4512616, 4512617 via cif-deposit CGI script.	4512612.cif