Crystallography Open Database

Information card for entry 4062053

4062052 << 4062053 >> 4062054

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Coordinates	4062053.cif

Structure parameters

Common name	[(PhCN)Mo(N[iPr]Ar)3]I3
Formula	C83 H110 Cl6 I6 Mo2 N8
Calculated formula	C83 H110 Cl6 I6 Mo2 N8
SMILES	C(Cl)Cl.C(Cl)Cl.C(C(=N[Mo](N(c1cc(cc(c1)C)C)C(C)C)(N(c1cc(cc(c1)C)C)C(C)C)N(c1cc(cc(c1)C)C)C(C)C)c1ccccc1)(=N[Mo](N(c1cc(cc(c1)C)C)C(C)C)(N(c1cc(cc(c1)C)C)C(C)C)N(c1cc(cc(c1)C)C)C(C)C)c1ccccc1.I[I-]I.C(Cl)Cl.I[I-]I
Journal of publication	Organometallics
Year of publication	2003
a	20.0607 ± 0.0005 Å
b	19.6646 ± 0.0005 Å
c	24.8443 ± 0.0007 Å
α	90°
β	95.38 ± 0.001°
γ	90°
Cell volume	9757.5 ± 0.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1265
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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