Crystallography Open Database

Information card for entry 7015268

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Coordinates	7015268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 Br N2 O2 Pd
Calculated formula	C14 H11 Br N2 O2 Pd
Title of publication	Novel bis(azole) pincer palladium complexes: synthesis, structures and applications in Mizoroki-Heck reactions.
Authors of publication	Luo, Qun-Li; Tan, Jian-Ping; Li, Zhi-Fu; Qin, Yue; Ma, Lin; Xiao, Dong-Rong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	14
Pages of publication	3601 - 3609
a	6.7355 ± 0.0013 Å
b	11.269 ± 0.002 Å
c	18.178 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1379.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0202
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0392
Weighted residual factors for all reflections included in the refinement	0.0395
Goodness-of-fit parameter for all reflections included in the refinement	0.831
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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