Crystallography Open Database

Information card for entry 4347653

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Coordinates	4347653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H52 Cl4 N4 Zn
Calculated formula	C56 H50 Cl4 N4 Zn
SMILES	[Zn]12([n]3c(C)cc(c3=C(c3n1c(C)cc3C)c1c3c(cc4c1cccc4)cccc3)C)[n]1c(=C(c3c4ccccc4cc4ccccc34)c3n2c(C)cc3C)c(C)cc1C.ClCCl.ClCCl
Title of publication	Bis(dipyrrinato)zinc(II) Complexes: Emission in the Solid State.
Authors of publication	Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	12
Pages of publication	5732 - 5734
a	25.18 ± 0.01 Å
b	20.397 ± 0.008 Å
c	18.983 ± 0.007 Å
α	90°
β	98.106 ± 0.005°
γ	90°
Cell volume	9652 ± 6 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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 significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.2237
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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