Crystallography Open Database

Information card for entry 4304008

Preview

Coordinates	4304008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H44 N6 Zn
Calculated formula	C64 H44 N6 Zn
SMILES	c12n(c(c3ccccc3)cc2c2ccccc2)[Zn]2([n]3c(c(c4ccccc4)cc3c3ccccc3)=N1)[n]1c(=Nc3c(cc(c4ccccc4)n23)c2ccccc2)c(cc1c1ccccc1)c1ccccc1
Title of publication	Homoleptic, Four-Coordinate Azadipyrromethene Complexes of d10 Zinc and Mercury
Authors of publication	Thomas S. Teets; David V. Partyka; James B. Updegraff; Thomas G. Gray
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	2338 - 2346
a	19.8576 ± 0.0011 Å
b	44.419 ± 0.002 Å
c	10.8128 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9537.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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