Crystallography Open Database

Information card for entry 7012855

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Structure parameters

Formula	C34 H35 N3
Calculated formula	C34 H35 N3
SMILES	[nH]1c2c(cc(cc2c2cc(cc(c12)/C=N/c1c(cc(cc1C)C)C)C)C)/C=N/c1c(cc(cc1C)C)C
Title of publication	Synthesis and reactivity of 1,8-bis(imino)carbazolide complexes of iron, cobalt and manganese
Authors of publication	Gibson, Vernon C.; Spitzmesser, Stefan K.; White, Andrew J. P.; Williams, David J.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	13
Pages of publication	2718
a	8.538 ± 0.0005 Å
b	11.0962 ± 0.0006 Å
c	15.0415 ± 0.0009 Å
α	86.815 ± 0.005°
β	75.434 ± 0.005°
γ	81.568 ± 0.006°
Cell volume	1364.05 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0713
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for all reflections	0.1642
Weighted residual factors for significantly intense reflections	0.1435
Goodness-of-fit parameter for all reflections	1.02
Goodness-of-fit parameter for significantly intense reflections	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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