Crystallography Open Database

Information card for entry 1519152

1519151 << 1519152 >> 1519153

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Coordinates	1519152.cif
External links	PubChem

Structure parameters

Formula	C48 H49 B F15 Mo
Calculated formula	C48 H49 B F15 Mo
Title of publication	C46H49BF15Mo
Authors of publication	Green, S. J.; Coles, Simon J.; Malik, K.M. Abdul; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1995
Pages of publication	1037
a	9.891 ± 0.003 Å
b	10.667 ± 0.003 Å
c	22.197 ± 0.006 Å
α	101.544 ± 0.013°
β	91.41 ± 0.02°
γ	99.83 ± 0.02°
Cell volume	2256.7 ± 1.1 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519152.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519152.cif
135464	2015-04-30	cif/ Adding structures of 1519152 via cif-deposit CGI script.	1519152.cif