Crystallography Open Database

Information card for entry 4347650

Preview

Coordinates	4347650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 N4 Zn
Calculated formula	C40 H42 N4 Zn
SMILES	[Zn]12([n]3c(=C(c4n2c(C)cc4)c2c(C)cc(cc2C)C)ccc3C)[n]2c(=C(c3n1c(cc3)C)c1c(cc(cc1C)C)C)ccc2C
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	25.853 ± 0.004 Å
b	8.0214 ± 0.0011 Å
c	16.439 ± 0.003 Å
α	90°
β	91.689 ± 0.001°
γ	90°
Cell volume	3407.6 ± 0.9 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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