Crystallography Open Database

Information card for entry 2241512

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Structure parameters

Chemical name	Tris(μ-bis{4-[(pyridin-2-ylmethylidene)amino]phenyl}methane-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>''') tetrakis(tetrafluoridoborate) acetonitrile trisolvate
Formula	C81 H69 B4 F16 N15 Zn2
Calculated formula	C81 H69 B4 F16 N15 Zn2
Title of publication	Crystal structure of tris(μ-bis{4-[(pyridin-2-ylmethylidene)amino]phenyl}methane-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>''')dizinc tetrakis(tetrafluoridoborate) acetonitrile trisolvate
Authors of publication	Alexandru, Maria-Gabriela; Dumitru, Florina
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	m271 - m272
a	54.177 ± 0.004 Å
b	13.6929 ± 0.0009 Å
c	21.9343 ± 0.0014 Å
α	90°
β	95.713 ± 0.001°
γ	90°
Cell volume	16190.9 ± 1.9 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 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	0.1595
Residual factor for significantly intense reflections	0.1155
Weighted residual factors for significantly intense reflections	0.1956
Weighted residual factors for all reflections included in the refinement	0.2141
Goodness-of-fit parameter for all reflections included in the refinement	1.205
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181916 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15.	2241512.cif 2241512.hkl
174765	2016-01-22	cif/ hkl/ Adding structures of 2241512 via cif-deposit CGI script.	2241512.cif 2241512.hkl