Crystallography Open Database

Information card for entry 4061537

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Coordinates	4061537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 B10 N2 Ti
Calculated formula	C34 H50 B10 N2 Ti
SMILES	[Ti]12345(=Nc6c(cccc6C(C)C)C(C)C)([n]6ccccc6)[C]6789[C]%10%11%12(C(C)(C)[c]%131[cH]5[cH]4[cH]3[cH]2%13)[BH]126[BH]34%10[BH]56%11[BH]%107%12[BH]7%116[BH]645[BH]423[BH]281[BH]9%107[BH]%11642.c1(ccccc1)C
Journal of publication	Organometallics
Year of publication	2005
a	9.5608 ± 0.0011 Å
b	10.511 ± 0.0012 Å
c	20.781 ± 0.002 Å
α	97.467 ± 0.003°
β	91.462 ± 0.003°
γ	115.175 ± 0.002°
Cell volume	1866.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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