Crystallography Open Database

Information card for entry 4509801

Preview

Coordinates	4509801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H89 Cl4 N43 Ni12 O38
Calculated formula	C74 H60 Cl4 N43 Ni12 O38
Title of publication	Self-Assembly of Multidecker NiIIClusters from Preformed Ni4Decks
Authors of publication	Ji, Cong-Min; Yang, Hui-Juan; Zhao, Chong-Chao; Tangoulis, Vassilis; Cui, Ai-Li; Kou, Hui-Zhong
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	11
Pages of publication	4607
a	14.086 ± 0.003 Å
b	15.411 ± 0.003 Å
c	15.621 ± 0.003 Å
α	60.6 ± 0.03°
β	77.43 ± 0.03°
γ	82.97 ± 0.03°
Cell volume	2883 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1464
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.1483
Weighted residual factors for all reflections included in the refinement	0.1671
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179634 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/98.	4509801.cif
97497	2014-01-29	cif/ Adding structures of 4509799, 4509800, 4509801 via cif-deposit CGI script.	4509801.cif