Crystallography Open Database

Information card for entry 7101005

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Coordinates	7101005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Cl N2 O2 Ta
Calculated formula	C38 H50 Cl N2 O2 Ta
SMILES	[Ta]12(Cl)(Oc3c(cccc3C(C)C)C(C)C)(Oc3c(cccc3C(C)C)C(C)C)([n]3c(cccc3)[C@@H]1C)[n]1c(cccc1)[C@@H]2C.[Ta]12(Cl)(Oc3c(cccc3C(C)C)C(C)C)(Oc3c(cccc3C(C)C)C(C)C)([n]3c(cccc3)[C@H]1C)[n]1c(cccc1)[C@H]2C
Journal of publication	Chemical Communications
Year of publication	2005
a	12.133 ± 0.0003 Å
b	12.3876 ± 0.0003 Å
c	13.9642 ± 0.0004 Å
α	98.863 ± 0.001°
β	115.424 ± 0.001°
γ	101.169 ± 0.001°
Cell volume	1791.75 ± 0.18 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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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