Crystallography Open Database

Information card for entry 7133707

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Coordinates	7133707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H57 N15 O15 Zr
Calculated formula	C12 H8 N8 O8 Zr
Title of publication	A Zr-hydroxamate metal-organic framework with intrinsic chelating sites for postsynthetic Pd metalation and Suzuki-Miyaura catalysis.
Authors of publication	Shao, Zhen-Wu; Xiong, Chaozhi; Yang, Jiajie; Mei, Zhewei; Xiong, Li; Wu, Wenjing; Liu, Chong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	79
Pages of publication	11100 - 11103
a	22.8945 ± 0.0004 Å
b	22.8945 ± 0.0004 Å
c	16.5284 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	7502.8 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193.15 K
Number of distinct elements	5
Space group number	192
Hermann-Mauguin space group symbol	P 6/m c c
Hall space group symbol	-P 6 2c
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1493
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.0037
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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